Basic information
- Standard SMILES
Nc1c(Cl)ccc2c1CCN(C(=O)C(F)(F)F)CC2- InChIKey
HZKWEYGYLKPXPA-UHFFFAOYSA-N- Molecular formula
- C12H12ClF3N2O
- Average molar mass
- 292.68 g/mol
Names & identifiers
- Preferred name
- 6-Amino-7-chloro-3-(2,2,2-trifluoroacetyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine
- IUPAC
- 1-(6-amino-7-chloro-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2,2,2-trifluoroethanone
Names & synonyms
6-Amino-7-chloro-3-(2,2,2-trifluoroacetyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepineSCHEMBL506186
Database identifiers
- PubChem CID
- 57656292
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 350
Related reactions
8 records
Compound notes
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